Geometry & MOs

Info

ID:	144692
PubChem CID:	53399855
Reduced:	O2N3C21H31 (1)
Stoich.:	A2B3C21D31 (1)
Weight, g/mol:	221.066363
ΔH_f, kcal/mol:	-100.6
Dipole, Da:	6.21
IP(EA), eV:	-9.41(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclohexa-2,4-dien-1-ylidene(methyl)azanium;2,2,2-trifluoroacetate

Drug info:

PubChemData

Smile

CC(C)CC1CC(=O)N(C1)C2(CCCCC2)C(=O)NCC3=CN=CC=C3

DOS

IR

Vibrations