Geometry & MOs

Info

ID:	296627
PubChem CID:	117586107
Reduced:	N5C13H21 (1)
Stoich.:	A5B13C21 (1)
Weight, g/mol:	258.159295
ΔH_f, kcal/mol:	31.99
Dipole, Da:	6.32
IP(EA), eV:	-8.79(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-6-piperazin-1-yl-N-(1H-pyrrol-3-yl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=NC(=CC(=N1)N(C)C(C)(C)C)NCCC#N

DOS

IR

Vibrations