Geometry & MOs

Info

ID:	75453
PubChem CID:	48423494
Reduced:	N3O4C18H27 (1)
Stoich.:	A3B4C18D27 (1)
Weight, g/mol:	401.267842
ΔH_f, kcal/mol:	-179.59
Dipole, Da:	2.27
IP(EA), eV:	-9.37(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-[4-(azepan-1-ylmethyl)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C(C)NC(=O)C(CC1=CC=CC=C1)NC(=O)OC

DOS

IR

Vibrations