Geometry & MOs

Info

ID:	296219
PubChem CID:	117561334
Reduced:	ClN4C9H13 (1)
Stoich.:	AB4C9D13 (1)
Weight, g/mol:	240.114174
ΔH_f, kcal/mol:	20.56
Dipole, Da:	4.11
IP(EA), eV:	-9.16(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-2-chloro-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCNC1=NC(=NC2=C1CNCC2)Cl

DOS

IR

Vibrations