Geometry & MOs

Info

ID:	439454
PubChem CID:	135229228
Reduced:	O6H28C37 (2)
Stoich.:	A6B28C37 (2)
Weight, g/mol:	199.120843
ΔH_f, kcal/mol:	-86.91
Dipole, Da:	2.87
IP(EA), eV:	-8.75(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[ethyl(propyl)carbamoyl]prop-2-enyl formate

Drug info:

Smile

C=CC(=O)OC1=CC=C(C=C1)C2=CC(C=C2)C(C3=CC=C(C=C3)C(C/C=C(\C=C/C#C)/C4=CC=C(C=C4)OC(=O)C=C)C5=C(C=CC(=C5)C6=CC=C(C=C6)OC(=O)C=C)OC(=O)C=C)C7=C(C=CC(=C7)C8=CC=C(C=C8)OC(=O)C=C)OC(=O)C=C

DOS

IR

Vibrations