Geometry & MOs

Info

ID:	369330
PubChem CID:	127332348
Reduced:	O3N4C21H34 (1)
Stoich.:	A3B4C21D34 (1)
Weight, g/mol:	393.244999
ΔH_f, kcal/mol:	-130.09
Dipole, Da:	1.64
IP(EA), eV:	-9.13(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-tert-butyloxan-3-yl)methyl]-3-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]urea

Drug info:

PubChemData

Smile

CC(C)(C)C1C(CCCO1)CNC(=O)NCC2=C(N=CC=C2)N3CCOCC3

DOS

IR

Vibrations