Geometry & MOs

Info

ID:	367319
PubChem CID:	127324126
Reduced:	ON2C11H17 (2)
Stoich.:	AB2C11D17 (2)
Weight, g/mol:	339.172896
ΔH_f, kcal/mol:	-87.8
Dipole, Da:	2.95
IP(EA), eV:	-8.63(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-(2-pyrazol-1-ylethyl)urea

Drug info:

PubChemData

Smile

CC1CCCC(C1)(CNC(=O)N2CCNC(=O)CC2C3=CC=CC=C3)N(C)C

DOS

IR

Vibrations