Geometry & MOs

Info

ID:	333909
PubChem CID:	127252461
Reduced:	O3N5C21H27 (1)
Stoich.:	A3B5C21D27 (1)
Weight, g/mol:	381.172228
ΔH_f, kcal/mol:	-103.89
Dipole, Da:	3.95
IP(EA), eV:	-9.23(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3aS,7aS)-2-methyl-5-(2-phenoxyethylsulfonyl)-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridin-7a-yl]acetamide

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2N1CC(=O)N3CC[C@]4(CN(C[C@H]4C3)C(=O)C)NC(=O)C

DOS

IR

Vibrations