Geometry & MOs

Info

ID:	174234
PubChem CID:	75743975
Reduced:	N4O6C27H33 (1)
Stoich.:	A4B6C27D33 (1)
Weight, g/mol:	195.160972
ΔH_f, kcal/mol:	-157.09
Dipole, Da:	2.67
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.167098
Charge, e:	1

Chem-info

IUPAC name:

(1-methyl-6-aza-3-azoniatricyclo[4.3.1.13,8]undecan-9-ylidene)hydrazine

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)NC(=O)C(C)[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations