Geometry & MOs

Info

ID:	364667
PubChem CID:	127315962
Reduced:	ON3C13H21 (1)
Stoich.:	AB3C13D21 (1)
Weight, g/mol:	274.168128
ΔH_f, kcal/mol:	-33.57
Dipole, Da:	5.85
IP(EA), eV:	-9.05(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dihydro-1-benzofuran-3-yl-(4,7-dimethyl-1,4-diazepan-1-yl)methanone

Drug info:

PubChemData

Smile

CC1=NN(C=C1C(=O)N2CCCC(C2)(C)C)C

DOS

IR

Vibrations