Geometry & MOs

Info

ID:	233368
PubChem CID:	89854044
Reduced:	FON9C24H30 (1)
Stoich.:	ABC9D24E30 (1)
Weight, g/mol:	437.248563
ΔH_f, kcal/mol:	34.48
Dipole, Da:	6.73
IP(EA), eV:	-8.65(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

acetamide;2-[carbamimidoyl(methyl)amino]acetic acid;3-(2-hydroxybutanoyloxy)-4-(trimethylazaniumyl)butanoate

Drug info:

PubChemData

Smile

CC1(C[C@H](C[C@@H]2N1CCC2)NC3=NC(=NC=C3F)NC4=CC5=C(C=C4)OC(C6=NN=NN56)(C)C)C

DOS

IR

Vibrations