Geometry & MOs

Info

ID:	124914
PubChem CID:	50903105
Reduced:	O3C9H10 (2)
Stoich.:	A3B9C10 (2)
Weight, g/mol:	544.316189
ΔH_f, kcal/mol:	-207.19
Dipole, Da:	4.0
IP(EA), eV:	-9.17(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-7-methoxy-N-methyl-1-(3-methylphenyl)-8-[(2-piperazin-1-ylacetyl)amino]-4,5-dihydrobenzo[g]indazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(=CC[C@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)OCCO)C

DOS

IR

Vibrations