Geometry & MOs

Info

ID:	199988
PubChem CID:	79328759
Reduced:	ClN2O2C14H19 (1)
Stoich.:	AB2C2D14E19 (1)
Weight, g/mol:	295.133907
ΔH_f, kcal/mol:	1.17
Dipole, Da:	7.35
IP(EA), eV:	-9.16(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(3-chloro-4,5-dimethoxyphenyl)methylidene]butyl]cyclopropanamine

Drug info:

PubChemData

Smile

CCCNCC(=CC1=CC(=C(C=C1)Cl)[N+](=O)[O-])CC

DOS

IR

Vibrations