Geometry & MOs

Info

ID:	46607
PubChem CID:	10525530
Reduced:	N2O3C25H32 (1)
Stoich.:	A2B3C25D32 (1)
Weight, g/mol:	408.241293
ΔH_f, kcal/mol:	-97.34
Dipole, Da:	2.55
IP(EA), eV:	-9.37(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,1-dibenzyl-N-[(Z)-6,6-dimethoxyhex-3-enyl]aziridine-2-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1[C@@H](C(=N[C@H](N1C(=O)OCC2=CC=CC=C2)C(C)(C)C)OC)CC3=CC=CC=C3

DOS

IR

Vibrations