Geometry & MOs

Info

ID:	210617
PubChem CID:	80830905
Reduced:	N4C15H26 (1)
Stoich.:	A4B15C26 (1)
Weight, g/mol:	270.184447
ΔH_f, kcal/mol:	-8.42
Dipole, Da:	3.23
IP(EA), eV:	-8.43(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-ethyl-6-methyl-4-N-(1-phenylpropan-2-yl)pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCC1(CCN(CC1)C2=NC(=NC(=C2)NCC)C)C

DOS

IR

Vibrations