Geometry & MOs

Info

ID:	130801
PubChem CID:	51109103
Reduced:	N6C15H22 (1)
Stoich.:	A6B15C22 (1)
Weight, g/mol:	313.19026
ΔH_f, kcal/mol:	74.16
Dipole, Da:	4.16
IP(EA), eV:	-8.33(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-ylmethylamino)propyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)CCNCC2CN=C3C=CNN3C2)C

DOS

IR

Vibrations