Geometry & MOs

Info

ID:	333533
PubChem CID:	127252085
Reduced:	O2N5C20H21 (1)
Stoich.:	A2B5C20D21 (1)
Weight, g/mol:	331.179696
ΔH_f, kcal/mol:	2.91
Dipole, Da:	7.02
IP(EA), eV:	-8.95(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-benzylpyrrolidin-3-yl)-N-pyridin-2-ylpyrimidin-2-amine

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC(=O)N2CCC(C2)C3=NC4=NC=NC(=C4C=C3)N

DOS

IR

Vibrations