Geometry & MOs

Info

ID:	426516
PubChem CID:	135144575
Reduced:	O3N5C23H35 (1)
Stoich.:	A3B5C23D35 (1)
Weight, g/mol:	306.240624
ΔH_f, kcal/mol:	-116.95
Dipole, Da:	5.03
IP(EA), eV:	-8.64(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butanoic acid;butan-1-ol;butyl butanoate

Drug info:

PubChemData

Smile

C1CCC(CC1)N2CCN(CC2)C3=NC=C(C=N3)C(=O)N4CC5CC(C(CC5C4)O)O

DOS

IR

Vibrations