Geometry & MOs

Info

ID:	346063
PubChem CID:	127270551
Reduced:	N3O3C22H35 (1)
Stoich.:	A3B3C22D35 (1)
Weight, g/mol:	377.231456
ΔH_f, kcal/mol:	-142.58
Dipole, Da:	4.73
IP(EA), eV:	-8.53(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-3-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)urea

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)OC2CCN(CC2)C(=O)NCCN3CCOC(C3)(C)C)C

DOS

IR

Vibrations