Geometry & MOs

Info

ID:	424404
PubChem CID:	135122567
Reduced:	ClO3N5C25H30 (1)
Stoich.:	AB3C5D25E30 (1)
Weight, g/mol:	304.094688
ΔH_f, kcal/mol:	-83.4
Dipole, Da:	4.45
IP(EA), eV:	-8.29(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-3-methoxybenzaldehyde;methyl 2-hydroxybenzoate

Drug info:

PubChemData

Smile

CC1CC(CN(C1)C2=NC=C(C(=C2)NC3=CC4=C(C=C3)N(C(=O)C(=C4)OCC(=O)NC)C)Cl)C

DOS

IR

Vibrations