Geometry & MOs

Info

ID:	403775
PubChem CID:	135061790
Reduced:	NOH12C14 (2)
Stoich.:	ABC12D14 (2)
Weight, g/mol:	391.193614
ΔH_f, kcal/mol:	41.55
Dipole, Da:	4.89
IP(EA), eV:	-8.19(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-benzylaziridin-2-yl)-1,5-bis(2-methylphenyl)penta-1,4-diyn-3-ol

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=CC3=CC(=NC=C3N2CC4=CC=CC=C4)C5=CC=C(C=C5)OC

DOS

IR

Vibrations