Geometry & MOs

Info

ID:	145578
PubChem CID:	53548399
Reduced:	O2N4C15H24 (1)
Stoich.:	A2B4C15D24 (1)
Weight, g/mol:	341.221561
ΔH_f, kcal/mol:	-59.22
Dipole, Da:	3.74
IP(EA), eV:	-8.87(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-[ethyl(propan-2-yl)amino]-N-methylbenzamide

Drug info:

PubChemData

Smile

COCCCN1CCCN(CC1)C(=O)NC2=CC=CC=N2

DOS

IR

Vibrations