Geometry & MOs

Info

ID:	402433
PubChem CID:	135055941
Reduced:	ClO3C14H17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	372.12407
ΔH_f, kcal/mol:	-118.3
Dipole, Da:	2.31
IP(EA), eV:	-9.58(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[(4-chlorophenyl)carbamoyl]-3-phenylaziridine-1-carboxylate

Drug info:

PubChemData

Smile

CCCCOC(=O)C(=C)[C@H](C1=CC=C(C=C1)Cl)O

DOS

IR

Vibrations