Geometry & MOs

Info

ID:	362595
PubChem CID:	127308366
Reduced:	O3N4C16H24 (1)
Stoich.:	A3B4C16D24 (1)
Weight, g/mol:	375.299811
ΔH_f, kcal/mol:	-89.98
Dipole, Da:	4.01
IP(EA), eV:	-8.66(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(cyclopropylmethyl)piperidin-4-yl]-3-(2,5-ditert-butylpyrazol-3-yl)urea

Drug info:

PubChemData

Smile

COCCOC1=C(C=CC=N1)NC(=O)N2CCN3CCCC3C2

DOS

IR

Vibrations