Geometry & MOs

Info

ID:	276384
PubChem CID:	103822854
Reduced:	OCl2N2C14H20 (1)
Stoich.:	AB2C2D14E20 (1)
Weight, g/mol:	241.179027
ΔH_f, kcal/mol:	-59.19
Dipole, Da:	3.19
IP(EA), eV:	-9.23(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,2,2-trimethyl-3-[(2-oxoazepan-3-yl)amino]propanamide

Drug info:

PubChemData

Smile

CC(C1=CC(=C(C=C1)Cl)Cl)NCC(C)(C)C(=O)NC

DOS

IR

Vibrations