Geometry & MOs

Info

ID:	329445
PubChem CID:	126736777
Reduced:	FO2N4C23H31 (1)
Stoich.:	AB2C4D23E31 (1)
Weight, g/mol:	328.178693
ΔH_f, kcal/mol:	-127.1
Dipole, Da:	9.33
IP(EA), eV:	-9.06(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-(4-amino-3-cyclopropyloxyphenyl)-2,3-dihydropyridine-6-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)CN1C2CCC1CC(C2)CNC(=O)C3=CNC4=C3C=C(C=C4)F

DOS

IR

Vibrations