Geometry & MOs

Info

ID:	333550
PubChem CID:	127252102
Reduced:	N3C10H11 (2)
Stoich.:	A3B10C11 (2)
Weight, g/mol:	400.162329
ΔH_f, kcal/mol:	107.05
Dipole, Da:	2.63
IP(EA), eV:	-8.94(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-N-[4-(trifluoromethyl)pyridin-2-yl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

C1CN(CC1C2=NC(=NC=C2)NC3=NC=CN=C3)CCC4=CC=CC=C4

DOS

IR

Vibrations