Geometry & MOs

Info

ID:	362954
PubChem CID:	127309960
Reduced:	O2N5C20H27 (1)
Stoich.:	A2B5C20D27 (1)
Weight, g/mol:	322.168128
ΔH_f, kcal/mol:	-13.46
Dipole, Da:	4.35
IP(EA), eV:	-8.99(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CC2=CC=CC=C2C1NC(=O)N3CCN(CC3)C(C)C4=NC(=NO4)C

DOS

IR

Vibrations