Geometry & MOs

Info

ID:	365479
PubChem CID:	127317898
Reduced:	SO2N4C16H24 (1)
Stoich.:	AB2C4D16E24 (1)
Weight, g/mol:	291.194677
ΔH_f, kcal/mol:	-62.84
Dipole, Da:	2.21
IP(EA), eV:	-8.7(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,7-dimethyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1C(=O)NCCNC(=O)C3=CC=CS3

DOS

IR

Vibrations