Geometry & MOs

Info

ID:	288996
PubChem CID:	104330593
Reduced:	ON2C17H26 (1)
Stoich.:	AB2C17D26 (1)
Weight, g/mol:	276.183778
ΔH_f, kcal/mol:	-63.03
Dipole, Da:	3.87
IP(EA), eV:	-8.46(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-hydroxypropyl)pyrrolidin-1-yl]-[2-methyl-4-(methylamino)phenyl]methanone

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC)C(=O)NC(C)C2CCCCC2

DOS

IR

Vibrations