Geometry & MOs

Info

ID:	280114
PubChem CID:	103846950
Reduced:	NSO3H7C8 (1)
Stoich.:	ABC3D7E8 (1)
Weight, g/mol:	176.120115
ΔH_f, kcal/mol:	1.44
Dipole, Da:	5.19
IP(EA), eV:	-10.1(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butyl-4-methylbenzaldehyde

Drug info:

PubChemData

Smile

C/C(=C/C1=CC=C(S1)[N+](=O)[O-])/C=O

DOS

IR

Vibrations