Geometry & MOs

Info

ID:	368866
PubChem CID:	127330836
Reduced:	O2N3C17H19 (1)
Stoich.:	A2B3C17D19 (1)
Weight, g/mol:	311.163377
ΔH_f, kcal/mol:	-9.91
Dipole, Da:	2.76
IP(EA), eV:	-8.83(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dihydro-2H-chromen-4-yl)-N-[5-(2-methylcyclopropyl)-1H-pyrazol-3-yl]acetamide

Drug info:

PubChemData

Smile

C1CC1C2=CC(=NN2)NC(=O)CC3CCOC4=CC=CC=C34

DOS

IR

Vibrations