Geometry & MOs

Info

ID:	345299
PubChem CID:	127269533
Reduced:	O2N3C20H29 (1)
Stoich.:	A2B3C20D29 (1)
Weight, g/mol:	365.210327
ΔH_f, kcal/mol:	-75.44
Dipole, Da:	6.77
IP(EA), eV:	-8.22(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(azepan-1-yl)phenyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea

Drug info:

PubChemData

Smile

CN(CCC1CCCCC1)C(=O)NC2=CC=C(C=C2)NC(=O)C3CC3

DOS

IR

Vibrations