Geometry & MOs

Info

ID:	359273
PubChem CID:	127297869
Reduced:	O2N3C20H31 (1)
Stoich.:	A2B3C20D31 (1)
Weight, g/mol:	353.114234
ΔH_f, kcal/mol:	-93.17
Dipole, Da:	4.57
IP(EA), eV:	-8.62(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-(1-methyl-5-oxopyrrolidin-3-yl)urea

Drug info:

PubChemData

Smile

CC1(CCCC1)CNC(=O)NC2=CC=C(C=C2)CCN3CCOCC3

DOS

IR

Vibrations