Geometry & MOs

Info

ID:	373680
PubChem CID:	131318694
Reduced:	ClN5C7H8 (1)
Stoich.:	AB5C7D8 (1)
Weight, g/mol:	194.049843
ΔH_f, kcal/mol:	55.79
Dipole, Da:	4.51
IP(EA), eV:	-9.86(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-(cyclopropylmethyl)benzaldehyde

Drug info:

PubChemData

Smile

CC1=NC(=C(C(=N1)Cl)C(C#N)N)N

DOS

IR

Vibrations