Geometry & MOs

Info

ID:	59100
PubChem CID:	24770931
Reduced:	O4N7H23C25 (1)
Stoich.:	A4B7C23D25 (1)
Weight, g/mol:	404.182396
ΔH_f, kcal/mol:	51.46
Dipole, Da:	5.75
IP(EA), eV:	-8.75(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methylindazol-4-yl)-3-[[2-(2-methylpropyl)-4-(trifluoromethyl)phenyl]methyl]urea

Drug info:

PubChemData

Smile

C1COCCN1CCNC2=NN3C(=NC4=C3N(C(=O)C5=CC=CC=C54)C6=CC=C(C=C6)[N+](=O)[O-])C=C2

DOS

IR

Vibrations