Geometry & MOs

Info

ID:	430248
PubChem CID:	135170312
Reduced:	N3C24H35 (1)
Stoich.:	A3B24C35 (1)
Weight, g/mol:	415.167811
ΔH_f, kcal/mol:	-10.59
Dipole, Da:	3.84
IP(EA), eV:	-8.11(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2R,6S,8R)-10-(4-methylphenyl)sulfonyl-4,12-diazatricyclo[6.3.1.02,6]dodecan-4-yl]-(2H-triazol-4-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1CCC3CCN(C3)C)N=C(C4=C2CCCC4)NC(C)C

DOS

IR

Vibrations