Geometry & MOs

Info

ID:	436751
PubChem CID:	135210465
Reduced:	O3N4C23H26 (1)
Stoich.:	A3B4C23D26 (1)
Weight, g/mol:	345.157623
ΔH_f, kcal/mol:	-61.88
Dipole, Da:	2.72
IP(EA), eV:	-8.72(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[hydroxy(methoxy)methyl]-1-[(4-methoxyphenyl)methyl]-5,6,8,9-tetrahydrooxepino[4,5-b]pyridin-2-one

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)C2=NC3=C(CCOCC3)C(=C2)C(=O)NC4=CC=CC(=C4)C#N

DOS

IR

Vibrations