Geometry & MOs

Info

ID:	362244
PubChem CID:	127307257
Reduced:	O2N5C16H33 (1)
Stoich.:	A2B5C16D33 (1)
Weight, g/mol:	382.177168
ΔH_f, kcal/mol:	-95.32
Dipole, Da:	4.62
IP(EA), eV:	-8.64(1.23)
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-[(1,4-dimethylpiperazin-2-yl)methyl]urea

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)NCC1CN(CCN1C)C)N2CCOCC2

DOS

IR

Vibrations