Geometry & MOs

Info

ID:	349609
PubChem CID:	127275761
Reduced:	NOC6H11 (2)
Stoich.:	ABC6D11 (2)
Weight, g/mol:	361.236542
ΔH_f, kcal/mol:	-96.24
Dipole, Da:	4.02
IP(EA), eV:	-9.13(1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)NC2CC2(C)C

DOS

IR

Vibrations