Geometry & MOs

Info

ID:	210447
PubChem CID:	80808809
Reduced:	N3C5H7 (2)
Stoich.:	A3B5C7 (2)
Weight, g/mol:	281.148789
ΔH_f, kcal/mol:	72.89
Dipole, Da:	3.52
IP(EA), eV:	-9.06(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-cyclopropyl-6-N-ethyl-4-N-(2-methoxyethyl)-5-nitropyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CC1=C(N=CN=C1NCCN2C=CC=N2)N

DOS

IR

Vibrations