Geometry & MOs

Info

ID:	369442
PubChem CID:	127333388
Reduced:	N3O3C22H35 (1)
Stoich.:	A3B3C22D35 (1)
Weight, g/mol:	373.227789
ΔH_f, kcal/mol:	-149.64
Dipole, Da:	2.74
IP(EA), eV:	-8.63(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-1-methyl-1-[(1-methylpiperidin-3-yl)methyl]urea

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)CC2=CC=CC=C2NC(=O)NCC3(CCCCCC3)O

DOS

IR

Vibrations