Geometry & MOs

Info

ID:	363354
PubChem CID:	127310888
Reduced:	OSN6C18H26 (1)
Stoich.:	ABC6D18E26 (1)
Weight, g/mol:	303.20591
ΔH_f, kcal/mol:	33.61
Dipole, Da:	6.63
IP(EA), eV:	-8.49(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopropyl-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]pyrimidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2CCN(C2)C(=O)C3=CN=C(S3)C4=CN(N=C4)C

DOS

IR

Vibrations