Geometry & MOs

Info

ID:	174729
PubChem CID:	75807085
Reduced:	O2N5C17H26 (1)
Stoich.:	A2B5C17D26 (1)
Weight, g/mol:	331.200825
ΔH_f, kcal/mol:	-8.03
Dipole, Da:	3.6
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.853643
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-(1H-pyrazol-4-yl)urea

Drug info:

PubChemData

Smile

CC[NH+](CC)C(CNC(=O)NC1=CNN=C1)C2=CC(=CC=C2)OC

DOS

IR

Vibrations