Geometry & MOs

Info

ID:	349451
PubChem CID:	127275238
Reduced:	N3O3C22H23 (1)
Stoich.:	A3B3C22D23 (1)
Weight, g/mol:	387.215806
ΔH_f, kcal/mol:	-52.78
Dipole, Da:	4.64
IP(EA), eV:	-8.59(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclohexylcarbamoyl)-2-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CN2C(=NC(=CC2=O)CN3CCCC3C4=C5C(=CC=C4)OCCO5)C=C1

DOS

IR

Vibrations