Geometry & MOs

Info

ID:	214173
PubChem CID:	81087188
Reduced:	O2N3C13H27 (1)
Stoich.:	A2B3C13D27 (1)
Weight, g/mol:	300.087685
ΔH_f, kcal/mol:	-129.63
Dipole, Da:	2.26
IP(EA), eV:	-9.43(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-amino-3-methylbutanoyl)amino]-5-chloro-2-methoxybenzoic acid

Drug info:

PubChemData

Smile

CCCNC(=O)CN(CCC)C(=O)CC(C)CN

DOS

IR

Vibrations