Geometry & MOs

Info

ID:	189771
PubChem CID:	77902718
Reduced:	FN3O3C19H22 (1)
Stoich.:	AB3C3D19E22 (1)
Weight, g/mol:	316.251464
ΔH_f, kcal/mol:	-111.19
Dipole, Da:	4.82
IP(EA), eV:	-9.76(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(azepan-1-ylmethyl)-1-(2-phenylethyl)pyrrolidin-3-yl]methanol

Drug info:

PubChemData

Smile

CCCCC1C(=O)N(CCN1C(=O)C2=CC(=O)N=C3C2C=C(C=C3)F)C

DOS

IR

Vibrations