Geometry & MOs

Info

ID:	430154
PubChem CID:	135170217
Reduced:	SF2O3N5H17C19 (1)
Stoich.:	AB2C3D5E17F19 (1)
Weight, g/mol:	337.251798
ΔH_f, kcal/mol:	-62.22
Dipole, Da:	5.88
IP(EA), eV:	-9.52(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-9-(4-pyrrolidin-1-ylbutyl)-1,2,4,5-tetrahydropyrido[3,4-d][1]benzazepine

Drug info:

PubChemData

Smile

C=CC#CC1[C@@H]2CN(C[C@@H]2CN1S(=O)(=O)C3=C(C=CC=C3F)F)C(=O)C4=NNN=C4

DOS

IR

Vibrations