Geometry & MOs

Info

ID:	230330
PubChem CID:	87570665
Reduced:	O2N6H16C17 (1)
Stoich.:	A2B6C16D17 (1)
Weight, g/mol:	176.079707
ΔH_f, kcal/mol:	43.84
Dipole, Da:	0.87
IP(EA), eV:	-8.89(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[carboxy(methyl)amino]ethyl-methylcarbamic acid

Drug info:

PubChemData

Smile

C1COCCN1C2=NC(=NC3=NC=C(N=C32)C4=CC=CC=C4C=O)N

DOS

IR

Vibrations