Geometry & MOs

Info

ID:	418765
PubChem CID:	135106720
Reduced:	O2N5C22H25 (1)
Stoich.:	A2B5C22D25 (1)
Weight, g/mol:	337.185335
ΔH_f, kcal/mol:	-10.02
Dipole, Da:	3.73
IP(EA), eV:	-8.97(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-difluorophenyl)-1-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1C(=O)N[C@@H]2COC[C@H]2CC3=CC=NC4=CC=CC=C34)N(C)C

DOS

IR

Vibrations