Geometry & MOs

Info

ID:	201563
PubChem CID:	79556835
Reduced:	ClO2N3C15H18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	305.093104
ΔH_f, kcal/mol:	18.27
Dipole, Da:	3.3
IP(EA), eV:	-8.98(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(5-chloro-2-nitrophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanamine

Drug info:

PubChemData

Smile

CC(C)C(C1=CN(C=C1)CC2=C(C=CC(=C2)Cl)[N+](=O)[O-])N

DOS

IR

Vibrations