Geometry & MOs

Info

ID:	196705
PubChem CID:	78867352
Reduced:	O2N4C21H30 (1)
Stoich.:	A2B4C21D30 (1)
Weight, g/mol:	288.147393
ΔH_f, kcal/mol:	-69.91
Dipole, Da:	4.28
IP(EA), eV:	-8.49(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7-methoxy-1-benzofuran-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone

Drug info:

PubChemData

Smile

CC(C)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)N3CCCN(CC3)C

DOS

IR

Vibrations