Geometry & MOs

Info

ID:	210450
PubChem CID:	80809131
Reduced:	N6C13H20 (1)
Stoich.:	A6B13C20 (1)
Weight, g/mol:	276.140868
ΔH_f, kcal/mol:	60.64
Dipole, Da:	4.76
IP(EA), eV:	-8.81(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-ethyl-4-N-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCC1=C(N=CN=C1NCCN2C=CC=N2)NCC

DOS

IR

Vibrations