Geometry & MOs

Info

ID:	330614
PubChem CID:	127248021
Reduced:	NOC9H12 (2)
Stoich.:	ABC9D12 (2)
Weight, g/mol:	318.194343
ΔH_f, kcal/mol:	-58.01
Dipole, Da:	5.53
IP(EA), eV:	-9.05(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethanone

Drug info:

PubChemData

Smile

C1CCN(C1)CC2(CCN(C2)C(=O)/C=C/C3=CC=CC=C3)O

DOS

IR

Vibrations