Geometry & MOs

Info

ID:	356734
PubChem CID:	127292215
Reduced:	O3N4C16H30 (1)
Stoich.:	A3B4C16D30 (1)
Weight, g/mol:	389.290309
ΔH_f, kcal/mol:	-155.9
Dipole, Da:	6.83
IP(EA), eV:	-8.96(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-ethylpiperazin-1-yl)-N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)C(C)(C)CNC(=O)N2CCNC(=O)C2C

DOS

IR

Vibrations