Geometry & MOs

Info

ID:	437004
PubChem CID:	135213678
Reduced:	N2O3C18H24 (1)
Stoich.:	A2B3C18D24 (1)
Weight, g/mol:	279.158292
ΔH_f, kcal/mol:	-112.01
Dipole, Da:	4.44
IP(EA), eV:	-8.72(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[[amino-(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]amino]ethyl]carbamate

Drug info:

PubChemData

Smile

CCC(C(C1=C2C=CC(=O)N3C2=C(C=C1)OC3C)O)NC(C)C

DOS

IR

Vibrations