Geometry & MOs

Info

ID:	367355
PubChem CID:	127324307
Reduced:	O2N5C19H29 (1)
Stoich.:	A2B5C19D29 (1)
Weight, g/mol:	308.167083
ΔH_f, kcal/mol:	-60.35
Dipole, Da:	6.57
IP(EA), eV:	-8.57(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-cyclopropylpyrrolidin-3-yl)-3-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]urea

Drug info:

PubChemData

Smile

CN1CCN(C(C1)CNC(=O)N2CCNC(=O)CC2C3=CC=CC=C3)C

DOS

IR

Vibrations