Geometry & MOs

Info

ID:	185409
PubChem CID:	77297225
Reduced:	N2O3C16H22 (1)
Stoich.:	A2B3C16D22 (1)
Weight, g/mol:	613.337653
ΔH_f, kcal/mol:	-96.16
Dipole, Da:	10.06
IP(EA), eV:	-9.83(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[5-[4-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methylcarbamoyl]-3-methyl-1-propan-2-ylindazol-6-yl]pyridin-2-yl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=NC(=O)C(=C(C(C)(C)C)NC(=O)O)C(=C1)C2CCC2

DOS

IR

Vibrations