Geometry & MOs

Info

ID:	329732
PubChem CID:	127246599
Reduced:	N3C9H11 (2)
Stoich.:	A3B9C11 (2)
Weight, g/mol:	322.215747
ΔH_f, kcal/mol:	86.8
Dipole, Da:	3.23
IP(EA), eV:	-8.68(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-2-[1-[(4-pyrrolidin-1-ylphenyl)methyl]pyrrolidin-3-yl]pyrimidine

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1)C2CCN(C2)CC3=C4N=C(C=C(N4N=C3)C)C

DOS

IR

Vibrations