Geometry & MOs

Info

ID:	188080
PubChem CID:	77666392
Reduced:	F3O5N6C25H29 (1)
Stoich.:	A3B5C6D25E29 (1)
Weight, g/mol:	400.199822
ΔH_f, kcal/mol:	-299.07
Dipole, Da:	6.34
IP(EA), eV:	-9.14(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-(5-but-1-ynyl-1-methylpyrrol-2-yl)-2-methylbutan-1-ol;bicyclo[3.1.0]hexa-1(6),2,4-triene;oxalic acid

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)C2=CC=C(C=C2)CNC(=O)C3CC(NNC3=O)C4=CC=NC=C4.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations