Geometry & MOs

Info

ID:	349542
PubChem CID:	127275429
Reduced:	NOC7H10 (2)
Stoich.:	ABC7D10 (2)
Weight, g/mol:	282.113506
ΔH_f, kcal/mol:	-82.36
Dipole, Da:	3.39
IP(EA), eV:	-8.52(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-methylphenyl)-2-methyl-1,4-oxazepane-4-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)NC2=CC=C(C=C2)C

DOS

IR

Vibrations