Geometry & MOs

Info

ID:	126800
PubChem CID:	50979493
Reduced:	O2N5C16H23 (1)
Stoich.:	A2B5C16D23 (1)
Weight, g/mol:	358.204513
ΔH_f, kcal/mol:	-61.0
Dipole, Da:	5.28
IP(EA), eV:	-9.54(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[4-[1-(2-phenylethyl)pyrrolidin-3-yl]pyridin-2-yl]phenyl]methanol

Drug info:

PubChemData

Smile

CC(C)CC1=CC(=NC(=N1)N)C(=O)N2[C@@H]3CC[C@H]2CNC(=O)C3

DOS

IR

Vibrations