Geometry & MOs

Info

ID:	349543
PubChem CID:	127275430
Reduced:	ClN2O2C14H19 (1)
Stoich.:	AB2C2D14E19 (1)
Weight, g/mol:	235.132077
ΔH_f, kcal/mol:	-92.48
Dipole, Da:	4.63
IP(EA), eV:	-8.77(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-pyridin-3-yl-1,4-oxazepane-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations