Geometry & MOs

Info

ID:	344029
PubChem CID:	127267205
Reduced:	N3O3C16H21 (1)
Stoich.:	A3B3C16D21 (1)
Weight, g/mol:	338.04907
ΔH_f, kcal/mol:	-92.52
Dipole, Da:	3.02
IP(EA), eV:	-9.13(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromo-1-methylpyrazol-4-yl)-3-[2-(pyridin-2-ylamino)ethyl]urea

Drug info:

PubChemData

Smile

CCC1=CN=C(O1)NC(=O)NC(CCCO)C2=CC=CC=C2

DOS

IR

Vibrations