Geometry & MOs

Info

ID:	174938
PubChem CID:	75835721
Reduced:	FOSN3C16H18 (1)
Stoich.:	ABCD3E16F18 (1)
Weight, g/mol:	496.317532
ΔH_f, kcal/mol:	-41.23
Dipole, Da:	2.46
IP(EA), eV:	-8.62(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[[4-[(2,5-dimethoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-N,N-diethylpiperidin-1-ium-3-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CCC(=O)NC2CCSC3=C2C=C(C=C3)F

DOS

IR

Vibrations