Geometry & MOs

Info

ID:	382769
PubChem CID:	134974102
Reduced:	N3O5C13H21 (1)
Stoich.:	A3B5C13D21 (1)
Weight, g/mol:	434.15689
ΔH_f, kcal/mol:	-161.08
Dipole, Da:	5.28
IP(EA), eV:	-9.42(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromophenyl)-N-methyl-N-[(5R,7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CCON1C=CC=N1)C(=O)OC

DOS

IR

Vibrations