Geometry & MOs

Info

ID:	363382
PubChem CID:	127310919
Reduced:	OSN5C16H23 (1)
Stoich.:	ABC5D16E23 (1)
Weight, g/mol:	289.19026
ΔH_f, kcal/mol:	14.67
Dipole, Da:	4.09
IP(EA), eV:	-8.79(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopropyl-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyrimidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN1CCCCC1CNC(=O)C2=CN=C(S2)C3=CN(N=C3)C

DOS

IR

Vibrations