Geometry & MOs

Info

ID:	38348
PubChem CID:	8031730
Reduced:	NO2C19H27 (1)
Stoich.:	AB2C19D27 (1)
Weight, g/mol:	315.158292
ΔH_f, kcal/mol:	-90.38
Dipole, Da:	5.32
IP(EA), eV:	-9.41(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-(1H-imidazol-2-ylmethyl)-N-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)CN(CC2=CC=CC=C2)C(=O)[C@@H]3CCOC3

DOS

IR

Vibrations