Geometry & MOs

Info

ID:	342388
PubChem CID:	127265211
Reduced:	N3O3C19H23 (1)
Stoich.:	A3B3C19D23 (1)
Weight, g/mol:	302.199428
ΔH_f, kcal/mol:	-32.46
Dipole, Da:	4.55
IP(EA), eV:	-9.06(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]-2-methylbut-2-enamide

Drug info:

PubChemData

Smile

CC1=NOC(=C1NC(=O)N2CCOC(C2)(C)C3=CC=CC=C3)C4CC4

DOS

IR

Vibrations