Geometry & MOs

Info

ID:	320449
PubChem CID:	126661101
Reduced:	ClNOF2H20C21 (1)
Stoich.:	ABCD2E20F21 (1)
Weight, g/mol:	213.15175
ΔH_f, kcal/mol:	-101.19
Dipole, Da:	3.69
IP(EA), eV:	-9.54(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-but-1-en-2-yl-4-methylcyclodeca-1,3,5,7,9-pentaen-1-amine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1/C(=C/2\CCCCNC2=O)/C)Cl)C3=CC(=C(C=C3)F)F

DOS

IR

Vibrations