Geometry & MOs

Info

ID:	130182
PubChem CID:	51075166
Reduced:	N3O3C18H23 (1)
Stoich.:	A3B3C18D23 (1)
Weight, g/mol:	302.120132
ΔH_f, kcal/mol:	-80.34
Dipole, Da:	1.3
IP(EA), eV:	-9.65(-0.82)
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)-3-phenylsulfanylpropanamide

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)OC)NC(=O)C1=CC=C(C=C1)CN2C=CC=N2

DOS

IR

Vibrations