Geometry & MOs

Info

ID:	137701
PubChem CID:	52246602
Reduced:	ON3C18H27 (1)
Stoich.:	AB3C18D27 (1)
Weight, g/mol:	350.174276
ΔH_f, kcal/mol:	-49.4
Dipole, Da:	7.14
IP(EA), eV:	-9.32(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-methoxyphenyl)methyl]-1-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]urea

Drug info:

PubChemData

Smile

C[C@H](C(=O)NCCC12CC3CC(C1)CC(C3)C2)N4C=CN=C4

DOS

IR

Vibrations