Geometry & MOs

Info

ID:	305543
PubChem CID:	124959104
Reduced:	O2N4C17H22 (1)
Stoich.:	A2B4C17D22 (1)
Weight, g/mol:	356.23246
ΔH_f, kcal/mol:	-1.09
Dipole, Da:	4.33
IP(EA), eV:	-8.8(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,5-dimethylpyrazol-4-yl)-N-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)CN2CCNC[C@@H]2C3=CC(=CC=C3)C(=O)NC

DOS

IR

Vibrations