Geometry & MOs

Info

ID:	272452
PubChem CID:	103743284
Reduced:	ON3C12H21 (1)
Stoich.:	AB3C12D21 (1)
Weight, g/mol:	326.06299
ΔH_f, kcal/mol:	-8.38
Dipole, Da:	3.34
IP(EA), eV:	-8.85(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromo-3-nitrophenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine

Drug info:

PubChemData

Smile

CC1(C(CC1OC)NCC2=CN(N=C2)C)C

DOS

IR

Vibrations