Geometry & MOs

Info

ID:	368348
PubChem CID:	127327943
Reduced:	O2N5C22H29 (1)
Stoich.:	A2B5C22D29 (1)
Weight, g/mol:	345.241627
ΔH_f, kcal/mol:	-41.84
Dipole, Da:	2.84
IP(EA), eV:	-8.96(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methylcyclohexyl)-3-[4-(2-morpholin-4-ylethyl)phenyl]urea

Drug info:

PubChemData

Smile

CC1CCCCN1C(=O)C2=CC=C(C=C2)NC(=O)N3CCC(C3)C4=CN(N=C4)C

DOS

IR

Vibrations