Geometry & MOs

Info

ID:	364260
PubChem CID:	127314741
Reduced:	O3N5C19H25 (1)
Stoich.:	A3B5C19D25 (1)
Weight, g/mol:	367.166269
ΔH_f, kcal/mol:	-74.31
Dipole, Da:	10.44
IP(EA), eV:	-8.39(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C=C2C(=C1)CC(O2)C)CNC(=O)NC3CCC4=NC=NN4C3

DOS

IR

Vibrations