Geometry & MOs

Info

ID:	129918
PubChem CID:	51074277
Reduced:	NO3C14H21 (1)
Stoich.:	AB3C14D21 (1)
Weight, g/mol:	272.098334
ΔH_f, kcal/mol:	-95.99
Dipole, Da:	0.82
IP(EA), eV:	-8.82(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzoxazol-2-ylmethyl)-N-methyl-1-thiophen-2-ylethanamine

Drug info:

PubChemData

Smile

CC1CC1C2=CC=C(O2)CN(C)CCC(=O)OC

DOS

IR

Vibrations