Geometry & MOs

Info

ID:	343452
PubChem CID:	127266625
Reduced:	NSO4C16H23 (1)
Stoich.:	ABC4D16E23 (1)
Weight, g/mol:	247.168462
ΔH_f, kcal/mol:	-167.41
Dipole, Da:	3.66
IP(EA), eV:	-8.76(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(dimethylamino)-2,2-dimethylcyclobutyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)SC)C(=O)N2CCC(C(C2)O)(OC)OC

DOS

IR

Vibrations