Geometry & MOs

Info

ID:	347412
PubChem CID:	127272261
Reduced:	NOC9H13 (2)
Stoich.:	ABC9D13 (2)
Weight, g/mol:	336.183778
ΔH_f, kcal/mol:	-101.31
Dipole, Da:	2.59
IP(EA), eV:	-9.4(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)urea

Drug info:

PubChemData

Smile

C1CCC(CC1)CCNC(=O)N[C@@H]2[C@@H](CC3=CC=CC=C23)O

DOS

IR

Vibrations