Geometry & MOs

Info

ID:	397717
PubChem CID:	135030611
Reduced:	N3C10H17 (1)
Stoich.:	A3B10C17 (1)
Weight, g/mol:	394.114042
ΔH_f, kcal/mol:	46.71
Dipole, Da:	4.25
IP(EA), eV:	-9.25(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-O-tert-butyl 3-O-methyl 1-(trifluoromethyl)pyrido[3,4-b]indole-3,9-dicarboxylate

Drug info:

PubChemData

Smile

CC1=CC[C@H](CC1)C(C)(C)N=[N+]=[N-]

DOS

IR

Vibrations