Geometry & MOs

Info

ID:	343029
PubChem CID:	127266192
Reduced:	SN3O3C16H17 (1)
Stoich.:	AB3C3D16E17 (1)
Weight, g/mol:	319.189592
ΔH_f, kcal/mol:	-77.72
Dipole, Da:	2.01
IP(EA), eV:	-9.19(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[3-[[1-(oxolan-3-yl)piperidin-4-yl]amino]phenyl]carbamate

Drug info:

PubChemData

Smile

CC1=NC(=CS1)C2=CC=C(C=C2)C(=O)NC3(CCOC3)C(=O)N

DOS

IR

Vibrations