Geometry & MOs

Info

ID:	349293
PubChem CID:	127275080
Reduced:	NOC10H21 (1)
Stoich.:	ABC10D21 (1)
Weight, g/mol:	362.220557
ΔH_f, kcal/mol:	-71.6
Dipole, Da:	2.2
IP(EA), eV:	-8.5(2.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-(2-methyl-1,4-oxazepan-4-yl)ethanone

Drug info:

PubChemData

Smile

CC1CN(CCCO1)CC(C)C

DOS

IR

Vibrations