Geometry & MOs

Info

ID:	369002
PubChem CID:	127331106
Reduced:	O3N6C14H20 (1)
Stoich.:	A3B6C14D20 (1)
Weight, g/mol:	397.239913
ΔH_f, kcal/mol:	-87.96
Dipole, Da:	2.76
IP(EA), eV:	-8.62(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1-hydroxycycloheptyl)methyl]-3-[4-(thiomorpholine-4-carbonyl)cyclohexyl]urea

Drug info:

PubChemData

Smile

CN1C=C(C=N1)N2CCC(C2=O)NC(=O)NC3CCCNC3=O

DOS

IR

Vibrations