Geometry & MOs

Info

ID:	433836
PubChem CID:	135173979
Reduced:	FO4N6C30H37 (1)
Stoich.:	AB4C6D30E37 (1)
Weight, g/mol:	471.167332
ΔH_f, kcal/mol:	-154.17
Dipole, Da:	5.42
IP(EA), eV:	-8.29(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-N,4-N-bis[(4-methoxyphenyl)methyl]-5-nitro-6-N-propan-2-ylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCC/C=C\1/C(=C(/N)\N=C(/C)\NC2=C(C=C(C=C2)C(=O)NCCO)F)/N(C(=O)N1C3CCCC3)C4=CC(=CC=C4)O

DOS

IR

Vibrations