Geometry & MOs

Info

ID:	417330
PubChem CID:	135092293
Reduced:	O3N5C18H27 (1)
Stoich.:	A3B5C18D27 (1)
Weight, g/mol:	261.15896
ΔH_f, kcal/mol:	-113.06
Dipole, Da:	8.84
IP(EA), eV:	-9.4(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)NC1=NC=C(C=N1)C(=O)N2CC[C@]3(CCCN([C@@H]3C2)C)C(=O)O

DOS

IR

Vibrations