Geometry & MOs

Info

ID:	362734
PubChem CID:	127309279
Reduced:	O3N6C19H32 (1)
Stoich.:	A3B6C19D32 (1)
Weight, g/mol:	343.225977
ΔH_f, kcal/mol:	-93.65
Dipole, Da:	5.2
IP(EA), eV:	-9.11(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(azepan-1-yl)-3-oxopropyl]-3-(2,3-dihydro-1H-inden-1-ylmethyl)urea

Drug info:

PubChemData

Smile

CC1=NOC(=N1)C(C)N2CCN(CC2)C(=O)NCCC(=O)N3CCCCCC3

DOS

IR

Vibrations