Geometry & MOs

Info

ID:	435306
PubChem CID:	135188796
Reduced:	ON2C9H20 (1)
Stoich.:	AB2C9D20 (1)
Weight, g/mol:	506.223038
ΔH_f, kcal/mol:	-23.14
Dipole, Da:	1.72
IP(EA), eV:	-9.39(1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(11R,15S)-5-anilino-4-[[4-(3-fluoropyridin-2-yl)phenyl]methyl]-8-methyl-1,4,8,10-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one

Drug info:

PubChemData

Smile

CCC(CC)(C=NCC)ONC

DOS

IR

Vibrations