Geometry & MOs

Info

ID:	69222
PubChem CID:	46530474
Reduced:	ON2C9H9 (2)
Stoich.:	AB2C9D9 (2)
Weight, g/mol:	412.211055
ΔH_f, kcal/mol:	-38.71
Dipole, Da:	8.09
IP(EA), eV:	-8.22(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 5-[(5-carbamoyl-2-pyrrolidin-1-ylphenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(NC2=C1C=C(C=C2)C(=O)NC3=CC=C(C=C3)NC(=O)N)C

DOS

IR

Vibrations