Geometry & MOs

Info

ID:	10167
PubChem CID:	98408
Reduced:	N4O5C16H20 (1)
Stoich.:	A4B5C16D20 (1)
Weight, g/mol:	348.14337
ΔH_f, kcal/mol:	-135.89
Dipole, Da:	3.28
IP(EA), eV:	-8.73(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[7-hydroxy-5,12-dimethyl-11-(methylamino)-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate

Drug info:

PubChemData

Smile

CC1=C(C(=O)C2=C(C1=O)N3CC4C(C3(C2COC(=O)N)O)N4C)NC

DOS

IR

Vibrations