Geometry & MOs

Info

ID:	356784
PubChem CID:	127292324
Reduced:	O2N4C15H26 (1)
Stoich.:	A2B4C15D26 (1)
Weight, g/mol:	380.23246
ΔH_f, kcal/mol:	-85.06
Dipole, Da:	2.07
IP(EA), eV:	-8.86(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,3,4,5-tetrahydro-2-benzazepine-2-carboxamide

Drug info:

PubChemData

Smile

CC1C(=O)NCCN1C(=O)NC2CCN(CC2)CC3CC3

DOS

IR

Vibrations