Geometry & MOs

Info

ID:	358259
PubChem CID:	127295804
Reduced:	O2N4C19H34 (1)
Stoich.:	A2B4C19D34 (1)
Weight, g/mol:	325.236542
ΔH_f, kcal/mol:	-119.99
Dipole, Da:	5.13
IP(EA), eV:	-8.74(1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(azepan-1-yl)-3-oxopropyl]-1-methyl-1-(oxan-3-ylmethyl)urea

Drug info:

PubChemData

Smile

C1CCCN(CC1)C(=O)CCNC(=O)N2CCC(C2)N3CCCCC3

DOS

IR

Vibrations