Geometry & MOs

Info

ID:	333592
PubChem CID:	127252144
Reduced:	N7C18H21 (1)
Stoich.:	A7B18C21 (1)
Weight, g/mol:	389.157578
ΔH_f, kcal/mol:	95.73
Dipole, Da:	3.5
IP(EA), eV:	-8.79(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CN=C(C=C1)NC2=NC=CC(=N2)C3CCN(C3)CC4=NC=CN4

DOS

IR

Vibrations