Geometry & MOs

Info

ID:	305376
PubChem CID:	124807020
Reduced:	N3O3C17H25 (1)
Stoich.:	A3B3C17D25 (1)
Weight, g/mol:	292.189926
ΔH_f, kcal/mol:	-102.7
Dipole, Da:	2.75
IP(EA), eV:	-8.86(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,5S,7aS)-N,N-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(O1)CN2C[C@H]3CCN(C(=O)[C@@H]3C2)CC(=O)N(C)C

DOS

IR

Vibrations