Geometry & MOs

Info

ID:	130847
PubChem CID:	51116493
Reduced:	N3O3C21H25 (1)
Stoich.:	A3B3C21D25 (1)
Weight, g/mol:	376.164774
ΔH_f, kcal/mol:	-91.73
Dipole, Da:	5.13
IP(EA), eV:	-8.41(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethylcarbamoylamino)phenyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)NC3=C(C=C(C=C3)C(=O)OC)C

DOS

IR

Vibrations