Geometry & MOs

Info

ID:	275851
PubChem CID:	103818446
Reduced:	N3O3C17H19 (1)
Stoich.:	A3B3C17D19 (1)
Weight, g/mol:	318.140199
ΔH_f, kcal/mol:	-61.07
Dipole, Da:	4.38
IP(EA), eV:	-8.32(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[4-[(3-methylthiophen-2-yl)methylamino]phenyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1=CC=C(C=C1)NCC2=CC=C(O2)C#N

DOS

IR

Vibrations