Geometry & MOs

Info

ID:	319062
PubChem CID:	126654396
Reduced:	NOC12H18 (2)
Stoich.:	ABC12D18 (2)
Weight, g/mol:	371.257277
ΔH_f, kcal/mol:	-95.18
Dipole, Da:	4.22
IP(EA), eV:	-8.89(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-5-[4-[3-(2,2-dimethylpropoxy)propoxy]phenyl]pyrazin-2-amine

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)C2=CC(=O)N(C=C2)CCOCC(C)(C)C)NC(C)(C)C

DOS

IR

Vibrations