Geometry & MOs

Info

ID:	209860
PubChem CID:	80732637
Reduced:	N3O4C14H21 (1)
Stoich.:	A3B4C14D21 (1)
Weight, g/mol:	277.061804
ΔH_f, kcal/mol:	-92.25
Dipole, Da:	4.59
IP(EA), eV:	-9.13(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-6-(4-methoxyanilino)-2-methylpyrimidine-5-carbaldehyde

Drug info:

PubChemData

Smile

CCCNC(=O)CCNC1=CC(=CC(=C1)OCC)[N+](=O)[O-]

DOS

IR

Vibrations