Geometry & MOs

Info

ID:	343241
PubChem CID:	127266414
Reduced:	O2N5C19H19 (1)
Stoich.:	A2B5C19D19 (1)
Weight, g/mol:	233.12766
ΔH_f, kcal/mol:	38.3
Dipole, Da:	6.1
IP(EA), eV:	-9.28(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(6-cyano-2-methylpyrimidin-4-yl)amino]-3-methylbutanamide

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=NOC2=N1)C)C(=O)N(C)CCC3=NC4=CC=CC=C4N3

DOS

IR

Vibrations