Geometry & MOs

Info

ID:	189891
PubChem CID:	77920131
Reduced:	O2N4C21H26 (1)
Stoich.:	A2B4C21D26 (1)
Weight, g/mol:	350.220557
ΔH_f, kcal/mol:	-27.26
Dipole, Da:	2.13
IP(EA), eV:	-9.03(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(hydroxymethyl)-4-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]-(2-methoxy-6-methylphenyl)methanone

Drug info:

PubChemData

Smile

CC1=NN(C(=O)N1CCC2=CC=CC=C2)CC(=O)N3CC4CC=CCC4C3

DOS

IR

Vibrations