Geometry & MOs

Info

ID:	311456
PubChem CID:	126592915
Reduced:	ClON5C14H18 (1)
Stoich.:	ABC5D14E18 (1)
Weight, g/mol:	188.120115
ΔH_f, kcal/mol:	77.16
Dipole, Da:	4.77
IP(EA), eV:	-8.97(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(cyclopropylmethyl)-3-ethylbenzaldehyde

Drug info:

PubChemData

Smile

CN(C)CC1=C(C=C(C=C1)C(=O)[C@H]2C[C@@H]2/C(=N/N)/N=N)Cl

DOS

IR

Vibrations