Geometry & MOs

Info

ID:	75653
PubChem CID:	48423801
Reduced:	O3N5C21H23 (1)
Stoich.:	A3B5C21D23 (1)
Weight, g/mol:	361.236542
ΔH_f, kcal/mol:	-46.76
Dipole, Da:	2.51
IP(EA), eV:	-8.63(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-[2-(azepan-1-yl)propylamino]-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=NC=C(C=C2)NC(=O)C(CC3=CC=CC=C3)NC(=O)OC)C

DOS

IR

Vibrations