Geometry & MOs

Info

ID:	27421
PubChem CID:	821266
Reduced:	N2O3C19H24 (1)
Stoich.:	A2B3C19D24 (1)
Weight, g/mol:	289.124883
ΔH_f, kcal/mol:	-88.62
Dipole, Da:	5.21
IP(EA), eV:	-9.56(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(1S,2S,4R)-bicyclo[2.2.1]heptane-2-carbonyl]amino]-3-phenylthiourea

Drug info:

PubChemData

Smile

CC1(CC(=CC(=O)C1)NNC(=O)/C(=C/C2=CC=CC=C2)/CCO)C

DOS

IR

Vibrations