Geometry & MOs

Info

ID:	131292
PubChem CID:	51187547
Reduced:	N2O3C24H34 (1)
Stoich.:	A2B3C24D34 (1)
Weight, g/mol:	394.200491
ΔH_f, kcal/mol:	-153.59
Dipole, Da:	2.44
IP(EA), eV:	-8.84(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CCC(C1=CC=C(C=C1)OC)NC(=O)CCNC(=O)C23CC4CC(C2)CC(C4)C3

DOS

IR

Vibrations