Geometry & MOs

Info

ID:	350360
PubChem CID:	127277438
Reduced:	O2N3C22H33 (1)
Stoich.:	A2B3C22D33 (1)
Weight, g/mol:	302.185509
ΔH_f, kcal/mol:	-102.11
Dipole, Da:	2.64
IP(EA), eV:	-8.55(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

CCN1CCCC1CNC(=O)C2CC3=CC=CC=C3CN2C(=O)CC(C)C

DOS

IR

Vibrations