Geometry & MOs

Info

ID:	330723
PubChem CID:	127248130
Reduced:	ON6C25H32 (1)
Stoich.:	AB6C25D32 (1)
Weight, g/mol:	420.227374
ΔH_f, kcal/mol:	30.74
Dipole, Da:	4.5
IP(EA), eV:	-8.91(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-[1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-3-yl]-1-(4-methylphenyl)pyrazol-4-yl]methyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=C(C=N2)CNC(=O)C)C3CCN(C3)CC4=CN=C(N=C4)C(C)C

DOS

IR

Vibrations