Geometry & MOs

Info

ID:	196073
PubChem CID:	78775951
Reduced:	N3O3C23H31 (1)
Stoich.:	A3B3C23D31 (1)
Weight, g/mol:	302.097666
ΔH_f, kcal/mol:	-82.21
Dipole, Da:	2.42
IP(EA), eV:	-7.88(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-propan-2-ylphenyl) 4-oxo-4-thiophen-2-ylbutanoate

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2=CC(=C(C=C2)NC(=O)CCOC3=CC=CC=C3OC)C

DOS

IR

Vibrations