Geometry & MOs

Info

ID:	12894
PubChem CID:	147892
Reduced:	N2O3C7H8 (2)
Stoich.:	A2B3C7D8 (2)
Weight, g/mol:	336.106984
ΔH_f, kcal/mol:	-131.27
Dipole, Da:	4.45
IP(EA), eV:	-9.26(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[2,5-bis(aziridin-1-yl)-4-(methoxycarbonylamino)-3,6-dioxocyclohexa-1,4-dien-1-yl]carbamate

Drug info:

PubChemData

Smile

COC(=O)NC1=C(C(=O)C(=C(C1=O)N2CC2)NC(=O)OC)N3CC3

DOS

IR

Vibrations