Geometry & MOs

Info

ID:	419744
PubChem CID:	135108931
Reduced:	ClOSN4C16H17 (1)
Stoich.:	ABCD4E16F17 (1)
Weight, g/mol:	317.210327
ΔH_f, kcal/mol:	24.92
Dipole, Da:	4.03
IP(EA), eV:	-9.14(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-5,6-dimethylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC=N1)CCN(C)CC2=CC(=O)N3C=C(C=CC3=N2)Cl

DOS

IR

Vibrations