Geometry & MOs

Info

ID:	129732
PubChem CID:	51073661
Reduced:	N3O3H17C19 (1)
Stoich.:	A3B3C17D19 (1)
Weight, g/mol:	308.163711
ΔH_f, kcal/mol:	-55.14
Dipole, Da:	6.17
IP(EA), eV:	-8.49(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=CC=CC=C2N1CC(=O)NC3=CC4=C(C=C3)OCC(=O)N4

DOS

IR

Vibrations