Geometry & MOs

Info

ID:	182881
PubChem CID:	76948869
Reduced:	N5C9H17 (1)
Stoich.:	A5B9C17 (1)
Weight, g/mol:	313.03136
ΔH_f, kcal/mol:	43.7
Dipole, Da:	2.98
IP(EA), eV:	-8.81(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-1-methoxy-4-(4-methyl-2-nitropent-1-enyl)benzene

Drug info:

PubChemData

Smile

CC1C(C(NN1)C)NCC2=CN=CN2

DOS

IR

Vibrations