Geometry & MOs

Info

ID:	417728
PubChem CID:	135102616
Reduced:	N5C12H21 (1)
Stoich.:	A5B12C21 (1)
Weight, g/mol:	410.220557
ΔH_f, kcal/mol:	65.08
Dipole, Da:	3.77
IP(EA), eV:	-8.88(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(3,4-dimethoxyphenyl)cyclopentyl]-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=NN(C(=N1)N2C[C@@H]3[C@H](C2)C3CN(C)C)C

DOS

IR

Vibrations