Geometry & MOs

Info

ID:	417195
PubChem CID:	135091623
Reduced:	O2N3C19H25 (1)
Stoich.:	A2B3C19D25 (1)
Weight, g/mol:	416.188212
ΔH_f, kcal/mol:	-61.24
Dipole, Da:	3.16
IP(EA), eV:	-8.49(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-1-[(1S,5S,6R,7R)-3-(2-methyl-5-pyrazol-1-ylphenyl)sulfonyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanamine

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C)C)C(=O)N2CCC(CC2)C(C3=CC=CC=N3)O

DOS

IR

Vibrations