Geometry & MOs

Info

ID:	75545
PubChem CID:	48423631
Reduced:	N3O4C19H27 (1)
Stoich.:	A3B4C19D27 (1)
Weight, g/mol:	282.194343
ΔH_f, kcal/mol:	-170.83
Dipole, Da:	6.62
IP(EA), eV:	-9.42(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-N-[2-(2-oxoazepan-1-yl)ethyl]propanamide

Drug info:

PubChemData

Smile

COC(=O)NC(CC1=CC=CC=C1)C(=O)NCCN2CCCCCC2=O

DOS

IR

Vibrations