Geometry & MOs

Info

ID:	379353
PubChem CID:	134419134
Reduced:	O4N5C22H25 (1)
Stoich.:	A4B5C22D25 (1)
Weight, g/mol:	1309.585201
ΔH_f, kcal/mol:	-102.92
Dipole, Da:	9.31
IP(EA), eV:	-9.9(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1CO[C@H](CN1C(=O)OC(C)(C)C)C(=O)NC2=NC=NC(=C2)C3=CC=CC(=C3)C#N

DOS

IR

Vibrations