Geometry & MOs

Info

ID:	52646
PubChem CID:	12015609
Reduced:	NC14H15 (1)
Stoich.:	AB14C15 (1)
Weight, g/mol:	374.163043
ΔH_f, kcal/mol:	26.07
Dipole, Da:	1.56
IP(EA), eV:	-8.36(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-oxo-1,6-diazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-7,9,11,13,15,17,19-heptaene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C2=CC=CC=C2N

DOS

IR

Vibrations