Geometry & MOs

Info

ID:	186224
PubChem CID:	77405456
Reduced:	ON2C22H32 (1)
Stoich.:	AB2C22D32 (1)
Weight, g/mol:	352.226312
ΔH_f, kcal/mol:	-50.5
Dipole, Da:	3.39
IP(EA), eV:	-9.09(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,16-dimethyl-15-(triazol-1-yl)-5-azatetracyclo[9.7.0.02,8.012,16]octadeca-12,14-dien-6-one

Drug info:

PubChemData

Smile

CC12CCCCC1C(CC3C2CCC4(C3CC=C4N5C=CN=C5)C)O

DOS

IR

Vibrations