Geometry & MOs

Info

ID:	368237
PubChem CID:	127327789
Reduced:	ON3C9H11 (2)
Stoich.:	AB3C9D11 (2)
Weight, g/mol:	378.180424
ΔH_f, kcal/mol:	-16.69
Dipole, Da:	2.91
IP(EA), eV:	-8.6(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(2-methyl-4-oxo-1H-pyrimidin-6-yl)phenyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2CCN(C2)C(=O)NC3=CC(=CC=C3)N4CCNC4=O

DOS

IR

Vibrations