Geometry & MOs

Info

ID:	186241
PubChem CID:	77409020
Reduced:	O7C31H36 (1)
Stoich.:	A7B31C36 (1)
Weight, g/mol:	373.171417
ΔH_f, kcal/mol:	-253.72
Dipole, Da:	10.44
IP(EA), eV:	-9.14(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,5-difluorocyclohexa-2,4-dien-1-yl)-5-(4,7,8,12-tetrazatricyclo[6.4.0.02,6]dodeca-1,6,9,11-tetraen-4-yl)oxan-3-amine

Drug info:

PubChemData

Smile

CCOC(=O)C=CC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)OCCCCCCCCC3CC(=C)C(=O)O3

DOS

IR

Vibrations