Geometry & MOs

Info

ID:	379560
PubChem CID:	134444567
Reduced:	N3O4C34H51 (1)
Stoich.:	A3B4C34D51 (1)
Weight, g/mol:	282.100442
ΔH_f, kcal/mol:	-214.17
Dipole, Da:	3.16
IP(EA), eV:	-8.38(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(2-nitrophenoxy)-2-[(Z)-prop-1-enyl]phenyl]methanimine

Drug info:

PubChemData

Smile

CCC1CC(CC(C[C@@H]([C@@H]1C)C)N2[C@H]3CC[C@H]([C@@H]2CC(C3)N4C(=O)C5=CC=CC=C5N(C4=O)CC(=O)OCC)C)C

DOS

IR

Vibrations