Geometry & MOs

Info

ID:	367331
PubChem CID:	127324220
Reduced:	ON6C18H26 (1)
Stoich.:	AB6C18D26 (1)
Weight, g/mol:	380.224597
ΔH_f, kcal/mol:	26.3
Dipole, Da:	4.31
IP(EA), eV:	-9.11(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-cyclopropylpyrrolidin-3-yl)-3-[4-(thiomorpholine-4-carbonyl)cyclohexyl]urea

Drug info:

PubChemData

Smile

CC(C)C(C1=NN=C2N1C=CC=C2)NC(=O)NC3CCN(C3)C4CC4

DOS

IR

Vibrations