Geometry & MOs

Info

ID:	349339
PubChem CID:	127275126
Reduced:	NO2C10H15 (2)
Stoich.:	AB2C10D15 (2)
Weight, g/mol:	362.220557
ΔH_f, kcal/mol:	-165.24
Dipole, Da:	3.15
IP(EA), eV:	-8.66(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-(2-methyl-1,4-oxazepan-4-yl)ethanone

Drug info:

PubChemData

Smile

CC1CN(CCCO1)CC(=O)NC(C2=CC3=C(C=C2)OCCO3)C(C)C

DOS

IR

Vibrations