Geometry & MOs

Info

ID:	165324
PubChem CID:	74532314
Reduced:	O2N5C21H29 (1)
Stoich.:	A2B5C21D29 (1)
Weight, g/mol:	407.19574
ΔH_f, kcal/mol:	-57.66
Dipole, Da:	5.64
IP(EA), eV:	-9.3(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3,5-dimethyl-1-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-4-yl]-N-[(4-methoxyphenyl)methyl]propanamide

Drug info:

PubChemData

Smile

CC1C(NC(NC1=O)N2C(=C(C(=N2)C)CCC(=O)NCC3=CC=CC=C3)C)C

DOS

IR

Vibrations