Geometry & MOs

Info

ID:	303380
PubChem CID:	124489605
Reduced:	O7H24C25 (1)
Stoich.:	A7B24C25 (1)
Weight, g/mol:	439.294725
ΔH_f, kcal/mol:	-250.37
Dipole, Da:	6.95
IP(EA), eV:	-8.9(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(3R)-3,4-dihydro-2H-chromen-3-yl]amino]-N-[1-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)imidazol-4-yl]pentanamide

Drug info:

PubChemData

Smile

CC1(C=CC2=C(O1)C=C(C3=C2OC4=C(C3=O)C[C@@H](OC5=C4C=CC(=C5)O)C(C)(C)O)O)C

DOS

IR

Vibrations