Geometry & MOs

Info

ID:	299012
PubChem CID:	117667496
Reduced:	O2N5C19H23 (1)
Stoich.:	A2B5C19D23 (1)
Weight, g/mol:	466.164105
ΔH_f, kcal/mol:	-35.41
Dipole, Da:	4.57
IP(EA), eV:	-8.89(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-[3-(hydroxymethyl)-5-phenanthren-3-ylpyrazol-1-yl]anilino]-2-oxoethyl]carbamic acid

Drug info:

PubChemData

Smile

C[C@@H](C1=CN=CC(=C1)C2=CC3=C(N=C2)N(CCC3)C(=O)N)NCC(=O)C

DOS

IR

Vibrations