Geometry & MOs

Info

ID:	21430
PubChem CID:	588200
Reduced:	N2O2C21H26 (1)
Stoich.:	A2B2C21D26 (1)
Weight, g/mol:	338.199428
ΔH_f, kcal/mol:	-41.86
Dipole, Da:	3.86
IP(EA), eV:	-9.42(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-benzhydryloxyethylamino)azepan-2-one

Drug info:

PubChemData

Smile

C1CCNC(=O)C(C1)NCCOC(C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations