Geometry & MOs

Info

ID:	349590
PubChem CID:	127275742
Reduced:	NOC7H11 (3)
Stoich.:	ABC7D11 (3)
Weight, g/mol:	381.172228
ΔH_f, kcal/mol:	-132.46
Dipole, Da:	4.06
IP(EA), eV:	-8.76(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-1,4-oxazepane-4-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)NCC2=CC=CC=C2CN3CC(OC(C3)C)C

DOS

IR

Vibrations