Geometry & MOs

Info

ID:	422365
PubChem CID:	135117698
Reduced:	O4N5C23H29 (1)
Stoich.:	A4B5C23D29 (1)
Weight, g/mol:	290.199428
ΔH_f, kcal/mol:	-98.86
Dipole, Da:	3.88
IP(EA), eV:	-9.54(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[methyl-[(1,2,2-trimethylpyrrolidin-3-yl)methyl]amino]methyl]benzoic acid

Drug info:

PubChemData

Smile

C1CN2C=C(CCC(=O)N3CCC4(CC3)CN(CCO4)C(=O)C5=CC=C(C=C5)OC1)N=N2

DOS

IR

Vibrations