Geometry & MOs

Info

ID:	305673
PubChem CID:	124964729
Reduced:	SN3C17H23 (1)
Stoich.:	AB3C17D23 (1)
Weight, g/mol:	376.199822
ΔH_f, kcal/mol:	39.61
Dipole, Da:	1.08
IP(EA), eV:	-8.57(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(5R,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CSC(=N1)C2=CN=C(C=C2)[C@@H]3CCCN(C3)C(C)C

DOS

IR

Vibrations