Geometry & MOs

Info

ID:	126842
PubChem CID:	50981095
Reduced:	ON4C19H28 (1)
Stoich.:	AB4C19D28 (1)
Weight, g/mol:	297.195346
ΔH_f, kcal/mol:	-24.21
Dipole, Da:	2.83
IP(EA), eV:	-8.72(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC(=O)CCNC(C)CN2C(=CC(=N2)C)C

DOS

IR

Vibrations