Geometry & MOs

Info

ID:	74834
PubChem CID:	48422560
Reduced:	N2O3C16H22 (1)
Stoich.:	A2B3C16D22 (1)
Weight, g/mol:	225.172879
ΔH_f, kcal/mol:	-125.79
Dipole, Da:	5.74
IP(EA), eV:	-9.47(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(azepan-1-yl)-2-(cyclopropylmethoxy)propan-1-one

Drug info:

PubChemData

Smile

COC(=O)NC(CC1=CC=CC=C1)C(=O)N2CCCCC2

DOS

IR

Vibrations