Geometry & MOs

Info

ID:	188013
PubChem CID:	77654027
Reduced:	FSN2O4C26H27 (1)
Stoich.:	ABC2D4E26F27 (1)
Weight, g/mol:	486.335862
ΔH_f, kcal/mol:	-155.78
Dipole, Da:	3.59
IP(EA), eV:	-8.64(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-benzylpyrrolidin-2-yl)-[4-(3-cyclopentyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1(C(=CC(=C2C3=C(C=C(C=C3)F)NC2=O)O1)C4=CC=C(C=C4)CNC(CCSC)C(=O)O)C

DOS

IR

Vibrations