Geometry & MOs

Info

ID:	170624
PubChem CID:	75260233
Reduced:	N4O4C23H30 (1)
Stoich.:	A4B4C23D30 (1)
Weight, g/mol:	370.211724
ΔH_f, kcal/mol:	-113.2
Dipole, Da:	4.76
IP(EA), eV:	-8.43(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-cyclopropyl-6-oxopyridazin-1-yl)-3-methylbutan-2-yl]-2-(dimethylamino)pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)CN2CCC3C(C2)C(=O)NC(N3)C4=CC=NC=C4)OCCO

DOS

IR

Vibrations