Geometry & MOs

Info

ID:	442363
PubChem CID:	135251576
Reduced:	N2O2C9H10 (1)
Stoich.:	A2B2C9D10 (1)
Weight, g/mol:	499.283492
ΔH_f, kcal/mol:	-33.6
Dipole, Da:	2.62
IP(EA), eV:	-9.91(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-2-[5-[[(1R)-4-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2,3-dihydro-1H-inden-1-yl]amino]pyrazin-2-yl]cyclopropyl]ethanone

Drug info:

PubChemData

Smile

CC1=CN=C(C=N1)/C=C/C(=O)OC

DOS

IR

Vibrations