Geometry & MOs

Info

ID:	278819
PubChem CID:	103838642
Reduced:	ON2C18H26 (1)
Stoich.:	AB2C18D26 (1)
Weight, g/mol:	280.097855
ΔH_f, kcal/mol:	11.22
Dipole, Da:	1.65
IP(EA), eV:	-8.4(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chloro-3-nitrophenyl)-N-[(1-cyclopropylcyclopropyl)methyl]methanamine

Drug info:

PubChemData

Smile

C1CC1C2(CC2)CNCC3=CC=C(C=C3)N4CCOCC4

DOS

IR

Vibrations