Geometry & MOs

Info

ID:	347907
PubChem CID:	127272969
Reduced:	O2N5C19H21 (1)
Stoich.:	A2B5C19D21 (1)
Weight, g/mol:	388.236208
ΔH_f, kcal/mol:	-15.38
Dipole, Da:	3.4
IP(EA), eV:	-8.51(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]-2-(2,5-dimethylpyrrolidin-1-yl)propanamide

Drug info:

PubChemData

Smile

CC1=NC(=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(N3)N4CCOCC4)C

DOS

IR

Vibrations