Geometry & MOs

Info

ID:	311991
PubChem CID:	126600655
Reduced:	O3N4C22H28 (1)
Stoich.:	A3B4C22D28 (1)
Weight, g/mol:	347.173273
ΔH_f, kcal/mol:	-88.01
Dipole, Da:	5.36
IP(EA), eV:	-8.75(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[acetyl-[(4-methoxyphenyl)methyl]amino]-2,3,6,7-tetrahydrooxepine-4-carboxylate

Drug info:

PubChemData

Smile

CC[C@@H]1CN(CCO1)C2=NC3=C(CCOCC3)C(=C2)C(=O)NC4=CN=C(C=C4)C

DOS

IR

Vibrations