Geometry & MOs

Info

ID:	307330
PubChem CID:	125299603
Reduced:	ClO2N6C21H21 (1)
Stoich.:	AB2C6D21E21 (1)
Weight, g/mol:	466.06405
ΔH_f, kcal/mol:	46.2
Dipole, Da:	3.11
IP(EA), eV:	-9.07(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-6-amino-4-[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]-3-methyl-3,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=NN(C(=O)C=C2)CC(=O)NCCC3=C4C=C(C=CC4=NC3)Cl)C

DOS

IR

Vibrations