Geometry & MOs

Info

ID:	435791
PubChem CID:	135192429
Reduced:	Cl2O2N9H25C28 (1)
Stoich.:	A2B2C9D25E28 (1)
Weight, g/mol:	293.235479
ΔH_f, kcal/mol:	78.39
Dipole, Da:	7.53
IP(EA), eV:	-9.39(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,5-ditert-butyl-4-hydroxycyclohexa-1,5-dien-1-yl)-N-methylpropanamide

Drug info:

PubChemData

Smile

C[C@@H]1CCCC[C@@H](C2=NC=CC(=C2)C3=C(C=NN3)NC1=O)N4C=NC(=CC4=O)C5=C(C=CC(=C5)Cl)N6C=C(N=N6)Cl

DOS

IR

Vibrations