Geometry & MOs

Info

ID:	439447
PubChem CID:	135229221
Reduced:	N5O7C39H67 (1)
Stoich.:	A5B7C39D67 (1)
Weight, g/mol:	215.067032
ΔH_f, kcal/mol:	-361.0
Dipole, Da:	5.37
IP(EA), eV:	-9.04(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7-dimethyl-3-(trifluoromethyl)-7H-pyrrolo[3,2-c]pyridazine

Drug info:

PubChemData

Smile

CC[C@@H](C)[C@H]([C@H](CC(=O)N1CCC[C@@H]1[C@H]([C@H](C)C(=O)N[C@@H](C)[C@@H](C2=CC=CC=C2)O)OC)OC)N(C)C(=O)C(C(C)C)NC(=O)[C@@H](C(C)C)NC

DOS

IR

Vibrations