Geometry & MOs

Info

ID:	75307
PubChem CID:	48423311
Reduced:	N3O3C20H25 (1)
Stoich.:	A3B3C20D25 (1)
Weight, g/mol:	336.241293
ΔH_f, kcal/mol:	-89.81
Dipole, Da:	0.79
IP(EA), eV:	-8.29(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-(cyclopropylmethoxy)propan-1-one

Drug info:

PubChemData

Smile

CN(CCNC(=O)C(CC1=CC=CC=C1)NC(=O)OC)C2=CC=CC=C2

DOS

IR

Vibrations