Geometry & MOs

Info

ID:	282618
PubChem CID:	103932926
Reduced:	N3O3C15H23 (1)
Stoich.:	A3B3C15D23 (1)
Weight, g/mol:	263.152144
ΔH_f, kcal/mol:	-117.98
Dipole, Da:	7.83
IP(EA), eV:	-9.24(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-hydroxy-2-methylphenyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=NN(C=C1C(=O)N2CCCC(C2)C(C)(C)C(=O)O)C

DOS

IR

Vibrations